1-O-tert-butyl 4-O-ethyl 4-carbamoylpiperidine-1,4-dicarboxylate

C14H24N2O5 — CID 74889478

IUPAC1-O-tert-butyl 4-O-ethyl 4-carbamoylpiperidine-1,4-dicarboxylate
SMILESCCOC(=O)C1(C(N)=O)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H24N2O5/c1-5-20-11(18)14(10(15)17)6-8-16(9-7-14)12(19)21-13(2,3)4/h5-9H2,1-4H3,(H2,15,17)
InChIKeyQYRPKNNTBDDOFW-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.05
Rot. Bonds3

About 1-O-tert-butyl 4-O-ethyl 4-carbamoylpiperidine-1,4-dicarboxylate

1-O-tert-butyl 4-O-ethyl 4-carbamoylpiperidine-1,4-dicarboxylate (PubChem CID 74889478) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-O-tert-butyl 4-O-ethyl 4-carbamoylpiperidine-1,4-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 4-O-ethyl 4-carbamoylpiperidine-1,4-dicarboxylate
PubChem CID74889478
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name1-O-tert-butyl 4-O-ethyl 4-carbamoylpiperidine-1,4-dicarboxylate
SMILESCCOC(=O)C1(C(N)=O)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H24N2O5/c1-5-20-11(18)14(10(15)17)6-8-16(9-7-14)12(19)21-13(2,3)4/h5-9H2,1-4H3,(H2,15,17)
InChIKeyQYRPKNNTBDDOFW-UHFFFAOYSA-N
XLogP1.05
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 4-O-ethyl 4-carbamoylpiperidine-1,4-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 4-O-ethyl 4-carbamoylpiperidine-1,4-dicarboxylate (CID 74889478) is 1-O-tert-butyl 4-O-ethyl 4-carbamoylpiperidine-1,4-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 4-O-ethyl 4-carbamoylpiperidine-1,4-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 4-O-ethyl 4-carbamoylpiperidine-1,4-dicarboxylate is CCOC(=O)C1(C(N)=O)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of 1-O-tert-butyl 4-O-ethyl 4-carbamoylpiperidine-1,4-dicarboxylate?
The InChIKey is QYRPKNNTBDDOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-5-20-11(18)14(10(15)17)6-8-16(9-7-14)12(19)21-13(2,3)4/h5-9H2,1-4H3,(H2,15,17).
What are the key properties of 1-O-tert-butyl 4-O-ethyl 4-carbamoylpiperidine-1,4-dicarboxylate?
1-O-tert-butyl 4-O-ethyl 4-carbamoylpiperidine-1,4-dicarboxylate has a molecular weight of 300.36 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 4-O-ethyl 4-carbamoylpiperidine-1,4-dicarboxylate is sourced from PubChem (CID 74889478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).